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Murcko scaffold

Ring system with 4 rings and 24 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
10
With full pages
2
Scaffold SMILES

[N+]=C1C=CC(=C(c2ccccc2)c2cccc3ccccc23)C=C1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold [N+]=C1C=CC(=C(c2ccccc2)c2cccc3ccccc23)C=C1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 10 of 10 chemicals

4-{[4-(Diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate chemical structure, C31H33N2O6S2-, CAS 16109-97-0
4-{[4-(Diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate
CAS 16109-97-0C31H33N2O6S2-
Hydrogen (4-((4-(dimethylamino)phenyl)(3,6-disulphonato-1-naphthyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chemical structure, C27H26N2O6S2, CAS 18249-12-2
Hydrogen (4-((4-(dimethylamino)phenyl)(3,6-disulphonato-1-naphthyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium
CAS 18249-12-2C27H26N2O6S2
Methanaminium, N-(4-((4-(dimethylamino)phenyl)(2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, hydroxide, inner salt chemical structure, C27H26N2O7S2, CAS 25317-10-6
Methanaminium, N-(4-((4-(dimethylamino)phenyl)(2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, hydroxide, inner salt
CAS 25317-10-6C27H26N2O7S2
Acid Green 50 chemical structure, C27H25N2NaO7S2, CAS 3087-16-9
Acid Green 50
CAS 3087-16-9C27H25N2NaO7S2
Acid Green 16 chemical structure, C31H33N2NaO6S2, CAS 12768-78-4
Acid Green 16
CAS 12768-78-4C31H33N2NaO6S2
Hydrogen (4-(4-(diethylamino)-alpha-(3,7-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, ammonium salt chemical structure, C31H37N3O6S2, CAS 97890-03-4
Hydrogen (4-(4-(diethylamino)-alpha-(3,7-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, ammonium salt
CAS 97890-03-4C31H37N3O6S2
Hydrogen (4-(4-(diethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)(ethyl)methylammonium, barium salt chemical structure, C60H62BaN4O12S4, CAS 98493-36-8
Hydrogen (4-(4-(diethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)(ethyl)methylammonium, barium salt
CAS 98493-36-8C60H62BaN4O12S4
Hydrogen (4-(4-(diethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, ammonium salt chemical structure, C31H37N3O6S2, CAS 93963-03-2
Hydrogen (4-(4-(diethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, ammonium salt
CAS 93963-03-2C31H37N3O6S2
Hydrogen (4-(4-(dimethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, barium salt chemical structure, C54H52BaN4O12S4+2, CAS 98493-34-6
Hydrogen (4-(4-(dimethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, barium salt
CAS 98493-34-6C54H52BaN4O12S4+2
Hydrogen (4-(4-(dimethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, sodium salt chemical structure, C27H26N2NaO6S2+, CAS 6434-86-2
Hydrogen (4-(4-(dimethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, sodium salt
CAS 6434-86-2C27H26N2NaO6S2+